Commits · 21a39eaf11d0cedc9c1dc419b9ac4a0a6633f6a8 · tsoc / openmm

10 Feb, 2015 1 commit
- Modeller supports triclinic boxes · 21a39eaf
  Peter Eastman authored Feb 09, 2015
  
  21a39eaf
09 Feb, 2015 1 commit
- Continuing triclinic box support in Python layer · 0a0f0214
  Peter Eastman authored Feb 09, 2015
  
  0a0f0214
07 Feb, 2015 1 commit
- Adding triclinic box support to Python layer · 4e62a24f
  Peter Eastman authored Feb 06, 2015
  
  4e62a24f
06 Feb, 2015 2 commits
- Merge pull request #797 from peastman/triclinic · 83ed602e
  peastman authored Feb 05, 2015
```
C++ libraries support triclinic boxes
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  83ed602e
- Bug fixes to triclinic boxes · 050e1262
  Peter Eastman authored Feb 05, 2015
  
  050e1262
05 Feb, 2015 2 commits
- Finished CUDA implementation of triclinic boxes for AmoebaMultipoleForce · 5b846af6
  Peter Eastman authored Feb 05, 2015
  
  5b846af6
- Continuing CUDA implementation of triclinic boxes for AmoebaMultipoleForce · 3b91c945
  Peter Eastman authored Feb 05, 2015
  
  3b91c945
04 Feb, 2015 1 commit
- Began CUDA implementation of triclinic boxes for AmoebaMultipoleForce · c83f2a12
  Peter Eastman authored Feb 04, 2015
  
  c83f2a12
03 Feb, 2015 1 commit
- Bug fixes to triclinic boxes for reference AmoebaMultipoleForce · 82e118fb
  Peter Eastman authored Feb 03, 2015
  
  82e118fb
22 Jan, 2015 1 commit
- Began implementing triclinic boxes for reference AmoebaMultipoleForce (not yet debugged) · 5e3a0a05
  Peter Eastman authored Jan 22, 2015
  
  5e3a0a05
20 Jan, 2015 5 commits
- Merge pull request #791 from peastman/bug · b51e05a8
  peastman authored Jan 20, 2015
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Check for nan positions was being done incorrectly
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  b51e05a8
- Check for nan positions was being done incorrectly · f75bf1bd
  peastman authored Jan 20, 2015
  
  f75bf1bd
- Merge pull request #790 from peastman/fortran · f83da363
  peastman authored Jan 20, 2015
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Fixed Fortran compilation errors caused by function names being too long
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  f83da363
- Fixed Fortran compilation errors caused by function names being too long · 690c80f1
  peastman authored Jan 20, 2015
  
  690c80f1
- Merge pull request #789 from swails/fixgb · d0e168ad
  peastman authored Jan 20, 2015
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Fixgb
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  d0e168ad
19 Jan, 2015 3 commits
- Fix the Amber test suite for recent fix to nonperiodic salt concentration with · 91e353a8
  Jason Swails authored Jan 18, 2015
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cutoff GB.
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  91e353a8
- Update CHARMM OBC2 nonperiodic salt force save file for recent fix. · 2228188c
  Jason Swails authored Jan 18, 2015
  
  2228188c
- Merge branch 'master' into fixgb · 7ef9b3b7
  Jason Swails authored Jan 18, 2015
  
  7ef9b3b7
18 Jan, 2015 1 commit
- Fix Amber custom GB models with both a salt concentration *and* a cutoff. · f9bd59ef
  Jason Swails authored Jan 18, 2015
  
  f9bd59ef
17 Jan, 2015 4 commits
- Merge pull request #788 from swails/master · 8bd44206
  peastman authored Jan 17, 2015
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Grammar fixes in the doxygen comments.
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  8bd44206
- Grammar fixes in the doxygen comments. · 6ad2aff3
  Jason Swails authored Jan 17, 2015
  
  6ad2aff3
- Merge pull request #787 from peastman/step · 78b80ccf
  peastman authored Jan 16, 2015
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Variable step size integrators were scaling the step size incorrectly
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  78b80ccf
- Variable step size integrators were scaling the step size incorrectly · bd01a379
  peastman authored Jan 16, 2015
  
  bd01a379
15 Jan, 2015 9 commits
- Merge pull request #765 from swails/stochastic-forces · 923ccea5
  peastman authored Jan 15, 2015
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Make it so that random forces and integrators generate unique seeds each time a Context is made
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  923ccea5
- Merge pull request #784 from rmcgibbo/whoops · 9972e293
  peastman authored Jan 15, 2015
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Fix for #780
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  9972e293
- Tweak numbering formatting. · df99352d
  Jason Swails authored Jan 15, 2015
  
  df99352d
- :class: -> :meth: where appropriate. · 8a2e438e
  Jason Swails authored Jan 15, 2015
  
  8a2e438e
- ``XXX`` -> :class:`XXX` · c2505aad
  Jason Swails authored Jan 15, 2015
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principle -> principal... I'm a bozo.
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  c2505aad
- whoops · e16acd1b
  Robert McGibbon authored Jan 15, 2015
  
  e16acd1b
- Merge pull request #783 from peastman/nan · a770b1b0
  peastman authored Jan 15, 2015
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Catch nan coordinates before they can produce a segfault
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  a770b1b0
- Catch nan coordinates before they can produce a segfault · 7dc2ff9e
  peastman authored Jan 15, 2015
  
  7dc2ff9e
- Add a section at the end of the manual about stochastic forces, integrators, and · c2191b61
  Jason Swails authored Jan 15, 2015
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random numbers.  Add 2 citations about Langevin synchronization.  Convert the
references.bib file to UNIX line endings.
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  c2191b61
14 Jan, 2015 3 commits
- Removed some unneeded code · 3b2579a5
  Peter Eastman authored Jan 14, 2015
  
  3b2579a5
- Merge pull request #780 from rmcgibbo/win32 · 7bdd4a67
  peastman authored Jan 14, 2015
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Some windows changes
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  7bdd4a67
- append to path instead · d0509247
  Robert McGibbon authored Jan 14, 2015
  
  d0509247
13 Jan, 2015 3 commits
- Some windows changes · 2f42ac0a
  Robert T. McGibbon authored Jan 13, 2015
  
  2f42ac0a
- Merge pull request #774 from rmcgibbo/bytes-4 · bfdae096
  peastman authored Jan 12, 2015
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Fix typemap for str/bytes -> std::string
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  bfdae096
- might fix segfault · 21bf9597
  Robert McGibbon authored Jan 12, 2015
  
  21bf9597
12 Jan, 2015 2 commits
- Merge pull request #776 from peastman/bug · a9c75e52
  peastman authored Jan 12, 2015
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Fixed bug in reference CustomCompoundBondForce
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  a9c75e52
- Updated test cases to catch a bug that was just fixed · 5ae844b2
  peastman authored Jan 12, 2015
  
  5ae844b2